(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate

C20H18O4 — CID 23569597

IUPAC(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
SMILESO=C(OCC(O)COc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c21-18(13-23-19-8-2-1-3-9-19)14-24-20(22)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,21H,13-14H2
InChIKeyQXENRWOCBKAJNI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.44
Rot. Bonds6

About (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate

(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate (PubChem CID 23569597) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
PubChem CID23569597
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate
SMILESO=C(OCC(O)COc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O4/c21-18(13-23-19-8-2-1-3-9-19)14-24-20(22)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,21H,13-14H2
InChIKeyQXENRWOCBKAJNI-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
(2-hydroxy-3-phenoxypropyl) 3,5-dibromo-4-hydroxybenzoate
CID 59017835
(2-hydroxy-3-phenoxypropyl) 4-tert-butylbenzoate
CID 122466220
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
2-propylpentyl naphthalene-2-carboxylate
CID 146351385
[2-hydroxy-3-[1-[[2-[2-hydroxy-3-(6-prop-2-ynoxynaphthalene-2-carbonyl)oxypropoxy]naphthalen-1-yl]methyl]naphthalen-2-yl]oxypropyl] 6-prop-2-ynoxynaphthalene-2-carboxylate
CID 122693925
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
2-hydroxybutyl 6-hydroxynaphthalene-2-carboxylate
CID 59791188
2-hydroxyethyl(triphenyl)phosphanium;3-(2-hydroxy-3-phenoxypropoxy)carbonylbenzenesulfonate
CID 87482724
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate?
The IUPAC name of (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate (CID 23569597) is (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate.
What is the SMILES notation for (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate?
The canonical SMILES for (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate is O=C(OCC(O)COc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate?
The InChIKey is QXENRWOCBKAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c21-18(13-23-19-8-2-1-3-9-19)14-24-20(22)17-11-10-15-6-4-5-7-16(15)12-17/h1-12,18,21H,13-14H2.
What are the key properties of (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate?
(2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenoxypropyl) naphthalene-2-carboxylate is sourced from PubChem (CID 23569597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).